USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 192 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 235 MET CE :methyl 153:sc= -0.813 (180deg=-4.02!) USER MOD Single : A 186 GLN : amide:sc= -5.11! C(o=-5.1!,f=-4.3!) USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot -47:sc= -1.33 USER MOD Single : A 204 TYR OH : rot -115:sc= -0.913 USER MOD Single : A 214 HIS : no HD1:sc= -2.97 K(o=-3,f=-1.6) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 230 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.624 2.440 -1.319 1.00 0.00 N ATOM 136 CA ASP A 181 11.258 1.908 -1.639 1.00 0.00 C ATOM 137 C ASP A 181 10.280 3.053 -1.967 1.00 0.00 C ATOM 138 O ASP A 181 9.102 2.827 -2.143 1.00 0.00 O ATOM 139 CB ASP A 181 10.722 1.157 -0.419 1.00 0.00 C ATOM 140 CG ASP A 181 11.866 0.400 0.233 1.00 0.00 C ATOM 141 OD1 ASP A 181 12.771 0.013 -0.482 1.00 0.00 O ATOM 142 OD2 ASP A 181 11.826 0.231 1.440 1.00 0.00 O ATOM 0 HA ASP A 181 11.339 1.250 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 181 10.280 1.857 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 181 9.934 0.466 -0.718 1.00 0.00 H new ATOM 147 N GLU A 182 10.729 4.274 -2.022 1.00 0.00 N ATOM 148 CA GLU A 182 9.775 5.386 -2.305 1.00 0.00 C ATOM 149 C GLU A 182 8.979 5.054 -3.571 1.00 0.00 C ATOM 150 O GLU A 182 7.772 5.187 -3.605 1.00 0.00 O ATOM 151 CB GLU A 182 10.562 6.689 -2.519 1.00 0.00 C ATOM 152 CG GLU A 182 11.214 7.136 -1.206 1.00 0.00 C ATOM 153 CD GLU A 182 12.036 8.404 -1.449 1.00 0.00 C ATOM 154 OE1 GLU A 182 12.066 8.857 -2.580 1.00 0.00 O ATOM 155 OE2 GLU A 182 12.623 8.901 -0.499 1.00 0.00 O ATOM 0 H GLU A 182 11.701 4.551 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 182 9.091 5.510 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 182 11.327 6.539 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 182 9.895 7.469 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.448 7.325 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 182 11.854 6.344 -0.818 1.00 0.00 H new ATOM 162 N ASP A 183 9.623 4.600 -4.606 1.00 0.00 N ATOM 163 CA ASP A 183 8.861 4.245 -5.831 1.00 0.00 C ATOM 164 C ASP A 183 7.904 3.098 -5.502 1.00 0.00 C ATOM 165 O ASP A 183 6.778 3.054 -5.960 1.00 0.00 O ATOM 166 CB ASP A 183 9.832 3.816 -6.926 1.00 0.00 C ATOM 167 CG ASP A 183 10.570 5.051 -7.447 1.00 0.00 C ATOM 168 OD1 ASP A 183 9.904 5.929 -7.967 1.00 0.00 O ATOM 169 OD2 ASP A 183 11.784 5.100 -7.314 1.00 0.00 O ATOM 0 H ASP A 183 10.632 4.460 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 183 8.292 5.106 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 183 10.544 3.089 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 183 9.293 3.329 -7.738 1.00 0.00 H new ATOM 174 N ALA A 184 8.369 2.163 -4.717 1.00 0.00 N ATOM 175 CA ALA A 184 7.544 0.978 -4.335 1.00 0.00 C ATOM 176 C ALA A 184 6.404 1.378 -3.387 1.00 0.00 C ATOM 177 O ALA A 184 5.304 0.871 -3.473 1.00 0.00 O ATOM 178 CB ALA A 184 8.456 -0.031 -3.611 1.00 0.00 C ATOM 0 H ALA A 184 9.307 2.171 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 184 7.109 0.546 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.874 -0.906 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.263 -0.336 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.878 0.434 -2.720 1.00 0.00 H new ATOM 184 N TRP A 185 6.671 2.256 -2.464 1.00 0.00 N ATOM 185 CA TRP A 185 5.616 2.654 -1.486 1.00 0.00 C ATOM 186 C TRP A 185 4.424 3.256 -2.228 1.00 0.00 C ATOM 187 O TRP A 185 3.289 2.915 -1.968 1.00 0.00 O ATOM 188 CB TRP A 185 6.192 3.681 -0.507 1.00 0.00 C ATOM 189 CG TRP A 185 5.133 4.055 0.477 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.556 5.271 0.574 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.507 3.224 1.495 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.613 5.240 1.582 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.548 4.001 2.185 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.678 1.884 1.884 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.785 3.465 3.225 1.00 0.00 C ATOM 196 CZ3 TRP A 185 3.915 1.346 2.926 1.00 0.00 C ATOM 197 CH2 TRP A 185 2.970 2.136 3.596 1.00 0.00 C ATOM 0 H TRP A 185 7.573 2.717 -2.342 1.00 0.00 H new ATOM 0 HA TRP A 185 5.283 1.775 -0.934 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.057 3.266 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.536 4.564 -1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.793 6.129 -0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.035 6.037 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.403 1.266 1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.057 4.077 3.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.055 0.315 3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.386 1.713 4.400 1.00 0.00 H new ATOM 208 N GLN A 186 4.666 4.127 -3.165 1.00 0.00 N ATOM 209 CA GLN A 186 3.535 4.715 -3.931 1.00 0.00 C ATOM 210 C GLN A 186 2.778 3.587 -4.640 1.00 0.00 C ATOM 211 O GLN A 186 1.567 3.594 -4.721 1.00 0.00 O ATOM 212 CB GLN A 186 4.047 5.737 -4.961 1.00 0.00 C ATOM 213 CG GLN A 186 4.394 7.073 -4.280 1.00 0.00 C ATOM 214 CD GLN A 186 5.745 6.962 -3.573 1.00 0.00 C ATOM 215 OE1 GLN A 186 6.768 7.254 -4.155 1.00 0.00 O ATOM 216 NE2 GLN A 186 5.795 6.559 -2.336 1.00 0.00 N ATOM 0 H GLN A 186 5.594 4.456 -3.433 1.00 0.00 H new ATOM 0 HA GLN A 186 2.868 5.235 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.928 5.341 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.288 5.900 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 186 4.426 7.871 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 186 3.618 7.337 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.936 6.313 -1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 186 6.693 6.489 -1.858 1.00 0.00 H new ATOM 225 N PHE A 187 3.483 2.619 -5.160 1.00 0.00 N ATOM 226 CA PHE A 187 2.805 1.498 -5.872 1.00 0.00 C ATOM 227 C PHE A 187 1.849 0.793 -4.912 1.00 0.00 C ATOM 228 O PHE A 187 0.708 0.530 -5.240 1.00 0.00 O ATOM 229 CB PHE A 187 3.884 0.520 -6.352 1.00 0.00 C ATOM 230 CG PHE A 187 3.268 -0.615 -7.136 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.625 -1.660 -6.464 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.345 -0.624 -8.538 1.00 0.00 C ATOM 233 CE1 PHE A 187 2.061 -2.714 -7.189 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.777 -1.681 -9.261 1.00 0.00 C ATOM 235 CZ PHE A 187 2.136 -2.725 -8.588 1.00 0.00 C ATOM 0 H PHE A 187 4.500 2.556 -5.122 1.00 0.00 H new ATOM 0 HA PHE A 187 2.234 1.871 -6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.608 1.047 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.429 0.123 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.564 -1.653 -5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.841 0.182 -9.058 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.566 -3.521 -6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 187 2.834 -1.689 -10.339 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.699 -3.540 -9.146 1.00 0.00 H new ATOM 245 N LEU A 188 2.302 0.501 -3.725 1.00 0.00 N ATOM 246 CA LEU A 188 1.424 -0.180 -2.721 1.00 0.00 C ATOM 247 C LEU A 188 0.193 0.682 -2.420 1.00 0.00 C ATOM 248 O LEU A 188 -0.920 0.189 -2.376 1.00 0.00 O ATOM 249 CB LEU A 188 2.221 -0.417 -1.430 1.00 0.00 C ATOM 250 CG LEU A 188 1.350 -1.090 -0.358 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.871 -2.463 -0.854 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.177 -1.269 0.923 1.00 0.00 C ATOM 0 H LEU A 188 3.248 0.704 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 188 1.090 -1.135 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.088 -1.042 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.599 0.533 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 188 0.481 -0.464 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.254 -2.932 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.285 -2.337 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.734 -3.096 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.564 -1.746 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.045 -1.893 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.510 -0.294 1.280 1.00 0.00 H new ATOM 264 N ILE A 189 0.370 1.957 -2.192 1.00 0.00 N ATOM 265 CA ILE A 189 -0.811 2.808 -1.880 1.00 0.00 C ATOM 266 C ILE A 189 -1.792 2.775 -3.049 1.00 0.00 C ATOM 267 O ILE A 189 -2.990 2.723 -2.873 1.00 0.00 O ATOM 268 CB ILE A 189 -0.357 4.257 -1.634 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.625 4.307 -0.451 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.568 5.132 -1.322 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.001 3.672 0.807 1.00 0.00 C ATOM 0 H ILE A 189 1.269 2.439 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.300 2.425 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 189 0.139 4.628 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.543 3.780 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 189 0.899 5.341 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -1.241 6.157 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -2.260 5.109 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -2.069 4.755 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.714 3.719 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.903 4.216 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.249 2.631 0.603 1.00 0.00 H new ATOM 283 N ALA A 190 -1.293 2.815 -4.242 1.00 0.00 N ATOM 284 CA ALA A 190 -2.199 2.802 -5.426 1.00 0.00 C ATOM 285 C ALA A 190 -3.043 1.530 -5.442 1.00 0.00 C ATOM 286 O ALA A 190 -4.214 1.561 -5.765 1.00 0.00 O ATOM 287 CB ALA A 190 -1.363 2.848 -6.695 1.00 0.00 C ATOM 0 H ALA A 190 -0.297 2.856 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.858 3.668 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.020 2.839 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.764 3.758 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.705 1.980 -6.729 1.00 0.00 H new ATOM 293 N ASP A 191 -2.462 0.415 -5.103 1.00 0.00 N ATOM 294 CA ASP A 191 -3.235 -0.859 -5.102 1.00 0.00 C ATOM 295 C ASP A 191 -4.203 -0.883 -3.917 1.00 0.00 C ATOM 296 O ASP A 191 -5.333 -1.294 -4.041 1.00 0.00 O ATOM 297 CB ASP A 191 -2.267 -2.037 -4.970 1.00 0.00 C ATOM 298 CG ASP A 191 -3.048 -3.345 -5.032 1.00 0.00 C ATOM 299 OD1 ASP A 191 -4.267 -3.290 -5.049 1.00 0.00 O ATOM 300 OD2 ASP A 191 -2.410 -4.383 -5.057 1.00 0.00 O ATOM 0 H ASP A 191 -1.484 0.329 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 191 -3.797 -0.934 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.527 -2.005 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -1.722 -1.970 -4.028 1.00 0.00 H new ATOM 305 N TYR A 192 -3.763 -0.470 -2.762 1.00 0.00 N ATOM 306 CA TYR A 192 -4.663 -0.496 -1.570 1.00 0.00 C ATOM 307 C TYR A 192 -5.903 0.379 -1.808 1.00 0.00 C ATOM 308 O TYR A 192 -6.991 0.058 -1.371 1.00 0.00 O ATOM 309 CB TYR A 192 -3.906 0.001 -0.331 1.00 0.00 C ATOM 310 CG TYR A 192 -4.696 -0.342 0.915 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.744 0.484 1.331 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.377 -1.488 1.653 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.478 0.164 2.481 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.109 -1.813 2.805 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.164 -0.987 3.220 1.00 0.00 C ATOM 316 OH TYR A 192 -6.895 -1.306 4.351 1.00 0.00 O ATOM 0 H TYR A 192 -2.822 -0.116 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 192 -4.988 -1.523 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.919 -0.459 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.754 1.079 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -5.989 1.371 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.565 -2.124 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.287 0.805 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -4.860 -2.698 3.372 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.547 -2.134 4.743 1.00 0.00 H new ATOM 326 N LEU A 193 -5.747 1.495 -2.470 1.00 0.00 N ATOM 327 CA LEU A 193 -6.916 2.400 -2.701 1.00 0.00 C ATOM 328 C LEU A 193 -7.806 1.861 -3.828 1.00 0.00 C ATOM 329 O LEU A 193 -8.790 2.476 -4.184 1.00 0.00 O ATOM 330 CB LEU A 193 -6.410 3.811 -3.064 1.00 0.00 C ATOM 331 CG LEU A 193 -5.591 4.400 -1.903 1.00 0.00 C ATOM 332 CD1 LEU A 193 -5.094 5.802 -2.294 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.460 4.482 -0.627 1.00 0.00 C ATOM 0 H LEU A 193 -4.863 1.820 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.509 2.446 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.796 3.764 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.256 4.461 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.736 3.755 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.513 6.224 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.468 5.731 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.948 6.446 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.870 4.900 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.323 5.120 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.800 3.483 -0.354 1.00 0.00 H new ATOM 345 N ARG A 194 -7.492 0.718 -4.383 1.00 0.00 N ATOM 346 CA ARG A 194 -8.355 0.169 -5.472 1.00 0.00 C ATOM 347 C ARG A 194 -9.657 -0.370 -4.854 1.00 0.00 C ATOM 348 O ARG A 194 -9.614 -1.095 -3.881 1.00 0.00 O ATOM 349 CB ARG A 194 -7.631 -0.982 -6.182 1.00 0.00 C ATOM 350 CG ARG A 194 -6.608 -0.414 -7.174 1.00 0.00 C ATOM 351 CD ARG A 194 -5.994 -1.545 -8.002 1.00 0.00 C ATOM 352 NE ARG A 194 -4.952 -0.990 -8.913 1.00 0.00 N ATOM 353 CZ ARG A 194 -4.081 -1.789 -9.463 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.135 -3.063 -9.234 1.00 0.00 N ATOM 355 NH2 ARG A 194 -3.157 -1.315 -10.247 1.00 0.00 N ATOM 0 H ARG A 194 -6.685 0.147 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.574 0.958 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.130 -1.616 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.352 -1.609 -6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -7.091 0.308 -7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.825 0.119 -6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -5.554 -2.294 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -6.769 -2.046 -8.582 1.00 0.00 H new ATOM 0 HE ARG A 194 -4.921 0.011 -9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -4.859 -3.441 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.453 -3.688 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -3.111 -0.313 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -2.478 -1.945 -10.674 1.00 0.00 H new ATOM 369 N PRO A 195 -10.808 -0.041 -5.402 1.00 0.00 N ATOM 370 CA PRO A 195 -12.098 -0.537 -4.863 1.00 0.00 C ATOM 371 C PRO A 195 -12.015 -2.003 -4.411 1.00 0.00 C ATOM 372 O PRO A 195 -12.636 -2.400 -3.444 1.00 0.00 O ATOM 373 CB PRO A 195 -13.058 -0.385 -6.044 1.00 0.00 C ATOM 374 CG PRO A 195 -12.542 0.799 -6.795 1.00 0.00 C ATOM 375 CD PRO A 195 -11.020 0.832 -6.573 1.00 0.00 C ATOM 0 HA PRO A 195 -12.410 0.012 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.065 -1.279 -6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -14.082 -0.225 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.777 0.717 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.006 1.718 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.482 0.465 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.667 1.846 -6.384 1.00 0.00 H new ATOM 383 N GLU A 196 -11.259 -2.811 -5.107 1.00 0.00 N ATOM 384 CA GLU A 196 -11.155 -4.239 -4.722 1.00 0.00 C ATOM 385 C GLU A 196 -10.489 -4.357 -3.352 1.00 0.00 C ATOM 386 O GLU A 196 -10.905 -5.145 -2.528 1.00 0.00 O ATOM 387 CB GLU A 196 -10.327 -4.984 -5.767 1.00 0.00 C ATOM 388 CG GLU A 196 -11.138 -5.075 -7.063 1.00 0.00 C ATOM 389 CD GLU A 196 -10.341 -5.825 -8.128 1.00 0.00 C ATOM 390 OE1 GLU A 196 -9.218 -5.429 -8.392 1.00 0.00 O ATOM 391 OE2 GLU A 196 -10.870 -6.789 -8.662 1.00 0.00 O ATOM 0 H GLU A 196 -10.712 -2.539 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 196 -12.152 -4.676 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.387 -4.463 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -10.075 -5.982 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -12.082 -5.587 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -11.384 -4.074 -7.419 1.00 0.00 H new ATOM 398 N LYS A 197 -9.477 -3.568 -3.085 1.00 0.00 N ATOM 399 CA LYS A 197 -8.816 -3.639 -1.754 1.00 0.00 C ATOM 400 C LYS A 197 -8.555 -5.101 -1.367 1.00 0.00 C ATOM 401 O LYS A 197 -9.030 -5.569 -0.350 1.00 0.00 O ATOM 402 CB LYS A 197 -9.737 -2.995 -0.715 1.00 0.00 C ATOM 403 CG LYS A 197 -8.928 -2.626 0.543 1.00 0.00 C ATOM 404 CD LYS A 197 -9.880 -2.234 1.688 1.00 0.00 C ATOM 405 CE LYS A 197 -10.366 -3.478 2.434 1.00 0.00 C ATOM 406 NZ LYS A 197 -11.139 -3.044 3.628 1.00 0.00 N ATOM 0 H LYS A 197 -9.085 -2.883 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 197 -7.863 -3.112 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -10.204 -2.103 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.541 -3.683 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -8.309 -3.470 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -8.253 -1.799 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -9.369 -1.565 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.733 -1.687 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.989 -4.091 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -9.518 -4.094 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -11.476 -3.880 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -10.529 -2.475 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -11.953 -2.472 3.325 1.00 0.00 H new ATOM 420 N PRO A 198 -7.801 -5.822 -2.154 1.00 0.00 N ATOM 421 CA PRO A 198 -7.486 -7.246 -1.848 1.00 0.00 C ATOM 422 C PRO A 198 -6.919 -7.402 -0.425 1.00 0.00 C ATOM 423 O PRO A 198 -6.688 -6.432 0.274 1.00 0.00 O ATOM 424 CB PRO A 198 -6.445 -7.641 -2.926 1.00 0.00 C ATOM 425 CG PRO A 198 -5.997 -6.350 -3.554 1.00 0.00 C ATOM 426 CD PRO A 198 -7.166 -5.385 -3.410 1.00 0.00 C ATOM 0 HA PRO A 198 -8.369 -7.885 -1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.604 -8.172 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.885 -8.306 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.108 -5.962 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.738 -6.496 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.830 -4.349 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.852 -5.453 -4.254 1.00 0.00 H new ATOM 434 N ALA A 199 -6.701 -8.615 0.010 1.00 0.00 N ATOM 435 CA ALA A 199 -6.153 -8.821 1.382 1.00 0.00 C ATOM 436 C ALA A 199 -4.744 -8.242 1.457 1.00 0.00 C ATOM 437 O ALA A 199 -3.974 -8.323 0.520 1.00 0.00 O ATOM 438 CB ALA A 199 -6.095 -10.315 1.701 1.00 0.00 C ATOM 0 H ALA A 199 -6.878 -9.467 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.800 -8.321 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.694 -10.457 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -7.098 -10.738 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.451 -10.817 0.978 1.00 0.00 H new ATOM 444 N PHE A 200 -4.405 -7.650 2.567 1.00 0.00 N ATOM 445 CA PHE A 200 -3.053 -7.061 2.713 1.00 0.00 C ATOM 446 C PHE A 200 -1.983 -8.144 2.548 1.00 0.00 C ATOM 447 O PHE A 200 -0.993 -7.954 1.874 1.00 0.00 O ATOM 448 CB PHE A 200 -2.933 -6.426 4.099 1.00 0.00 C ATOM 449 CG PHE A 200 -1.542 -5.864 4.266 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.119 -4.810 3.449 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.671 -6.400 5.226 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.170 -4.292 3.592 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.621 -5.877 5.368 1.00 0.00 C ATOM 454 CZ PHE A 200 1.042 -4.823 4.548 1.00 0.00 C ATOM 0 H PHE A 200 -5.011 -7.550 3.381 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.905 -6.303 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.674 -5.636 4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.134 -7.168 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.788 -4.397 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -0.996 -7.215 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.495 -3.478 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 200 1.291 -6.286 6.109 1.00 0.00 H new ATOM 0 HZ PHE A 200 2.039 -4.421 4.654 1.00 0.00 H new ATOM 464 N ARG A 201 -2.175 -9.275 3.160 1.00 0.00 N ATOM 465 CA ARG A 201 -1.170 -10.373 3.042 1.00 0.00 C ATOM 466 C ARG A 201 -1.038 -10.832 1.592 1.00 0.00 C ATOM 467 O ARG A 201 0.047 -11.112 1.118 1.00 0.00 O ATOM 468 CB ARG A 201 -1.629 -11.541 3.902 1.00 0.00 C ATOM 469 CG ARG A 201 -1.455 -11.171 5.375 1.00 0.00 C ATOM 470 CD ARG A 201 -1.910 -12.332 6.253 1.00 0.00 C ATOM 471 NE ARG A 201 -3.349 -12.617 6.014 1.00 0.00 N ATOM 472 CZ ARG A 201 -3.850 -13.756 6.393 1.00 0.00 C ATOM 473 NH1 ARG A 201 -3.096 -14.633 6.994 1.00 0.00 N ATOM 474 NH2 ARG A 201 -5.109 -14.021 6.179 1.00 0.00 N ATOM 0 H ARG A 201 -2.986 -9.491 3.740 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.199 -10.009 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -2.673 -11.775 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.049 -12.433 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -0.411 -10.935 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.035 -10.278 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -1.314 -13.218 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -1.748 -12.089 7.303 1.00 0.00 H new ATOM 0 HE ARG A 201 -3.940 -11.924 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -2.112 -14.426 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -3.490 -15.526 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -5.703 -13.334 5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -5.500 -14.915 6.477 1.00 0.00 H new ATOM 488 N LYS A 202 -2.131 -10.922 0.886 1.00 0.00 N ATOM 489 CA LYS A 202 -2.058 -11.371 -0.535 1.00 0.00 C ATOM 490 C LYS A 202 -1.496 -10.246 -1.422 1.00 0.00 C ATOM 491 O LYS A 202 -0.727 -10.492 -2.329 1.00 0.00 O ATOM 492 CB LYS A 202 -3.445 -11.788 -1.041 1.00 0.00 C ATOM 493 CG LYS A 202 -3.876 -13.100 -0.356 1.00 0.00 C ATOM 494 CD LYS A 202 -5.192 -13.622 -0.959 1.00 0.00 C ATOM 495 CE LYS A 202 -6.371 -12.836 -0.381 1.00 0.00 C ATOM 496 NZ LYS A 202 -7.648 -13.410 -0.881 1.00 0.00 N ATOM 0 H LYS A 202 -3.067 -10.706 1.228 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.392 -12.232 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -4.170 -11.002 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.423 -11.921 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.094 -13.851 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -4.001 -12.933 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.172 -13.521 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -5.308 -14.684 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -6.346 -12.873 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -6.296 -11.787 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -8.447 -12.874 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -7.671 -13.353 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -7.720 -14.405 -0.587 1.00 0.00 H new ATOM 510 N CYS A 203 -1.885 -9.013 -1.183 1.00 0.00 N ATOM 511 CA CYS A 203 -1.371 -7.888 -2.032 1.00 0.00 C ATOM 512 C CYS A 203 0.130 -7.684 -1.782 1.00 0.00 C ATOM 513 O CYS A 203 0.889 -7.421 -2.692 1.00 0.00 O ATOM 514 CB CYS A 203 -2.125 -6.586 -1.705 1.00 0.00 C ATOM 515 SG CYS A 203 -1.461 -5.840 -0.195 1.00 0.00 S ATOM 0 H CYS A 203 -2.531 -8.739 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.533 -8.142 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -2.034 -5.886 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -3.187 -6.794 -1.579 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.343 -6.752 0.724 1.00 0.00 H new ATOM 521 N TYR A 204 0.561 -7.787 -0.551 1.00 0.00 N ATOM 522 CA TYR A 204 2.009 -7.584 -0.247 1.00 0.00 C ATOM 523 C TYR A 204 2.830 -8.613 -1.019 1.00 0.00 C ATOM 524 O TYR A 204 3.888 -8.324 -1.538 1.00 0.00 O ATOM 525 CB TYR A 204 2.247 -7.755 1.255 1.00 0.00 C ATOM 526 CG TYR A 204 3.623 -7.245 1.607 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.728 -8.088 1.487 1.00 0.00 C ATOM 528 CD2 TYR A 204 3.791 -5.933 2.053 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.007 -7.625 1.815 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.069 -5.464 2.385 1.00 0.00 C ATOM 531 CZ TYR A 204 6.178 -6.312 2.266 1.00 0.00 C ATOM 532 OH TYR A 204 7.435 -5.858 2.601 1.00 0.00 O ATOM 0 H TYR A 204 -0.026 -8.002 0.255 1.00 0.00 H new ATOM 0 HA TYR A 204 2.310 -6.579 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.490 -7.209 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.155 -8.805 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.596 -9.102 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 204 2.936 -5.279 2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 204 6.860 -8.280 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.199 -4.450 2.732 1.00 0.00 H new ATOM 0 HH TYR A 204 7.463 -5.650 3.558 1.00 0.00 H new ATOM 542 N GLU A 205 2.351 -9.814 -1.101 1.00 0.00 N ATOM 543 CA GLU A 205 3.096 -10.861 -1.846 1.00 0.00 C ATOM 544 C GLU A 205 3.265 -10.441 -3.312 1.00 0.00 C ATOM 545 O GLU A 205 4.308 -10.635 -3.900 1.00 0.00 O ATOM 546 CB GLU A 205 2.323 -12.174 -1.764 1.00 0.00 C ATOM 547 CG GLU A 205 2.427 -12.744 -0.351 1.00 0.00 C ATOM 548 CD GLU A 205 1.527 -13.979 -0.243 1.00 0.00 C ATOM 549 OE1 GLU A 205 0.736 -14.188 -1.146 1.00 0.00 O ATOM 550 OE2 GLU A 205 1.642 -14.694 0.740 1.00 0.00 O ATOM 0 H GLU A 205 1.472 -10.120 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 205 4.085 -10.991 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.277 -12.009 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 205 2.722 -12.888 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.460 -13.011 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.126 -11.994 0.380 1.00 0.00 H new ATOM 557 N ARG A 206 2.261 -9.857 -3.910 1.00 0.00 N ATOM 558 CA ARG A 206 2.399 -9.425 -5.331 1.00 0.00 C ATOM 559 C ARG A 206 3.478 -8.341 -5.395 1.00 0.00 C ATOM 560 O ARG A 206 4.294 -8.300 -6.298 1.00 0.00 O ATOM 561 CB ARG A 206 1.067 -8.847 -5.804 1.00 0.00 C ATOM 562 CG ARG A 206 0.048 -9.970 -5.922 1.00 0.00 C ATOM 563 CD ARG A 206 -1.283 -9.378 -6.355 1.00 0.00 C ATOM 564 NE ARG A 206 -1.101 -8.676 -7.658 1.00 0.00 N ATOM 565 CZ ARG A 206 -2.138 -8.299 -8.349 1.00 0.00 C ATOM 566 NH1 ARG A 206 -3.340 -8.536 -7.899 1.00 0.00 N ATOM 567 NH2 ARG A 206 -1.966 -7.685 -9.488 1.00 0.00 N ATOM 0 H ARG A 206 1.357 -9.661 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 206 2.674 -10.267 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.714 -8.092 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.193 -8.352 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.385 -10.711 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 206 -0.060 -10.484 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -2.031 -10.165 -6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -1.649 -8.682 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 206 -0.161 -8.491 -8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -3.465 -9.016 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -4.154 -8.242 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -1.023 -7.503 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -2.774 -7.387 -10.034 1.00 0.00 H new ATOM 581 N LEU A 207 3.476 -7.466 -4.421 1.00 0.00 N ATOM 582 CA LEU A 207 4.477 -6.367 -4.370 1.00 0.00 C ATOM 583 C LEU A 207 5.886 -6.964 -4.307 1.00 0.00 C ATOM 584 O LEU A 207 6.812 -6.457 -4.905 1.00 0.00 O ATOM 585 CB LEU A 207 4.222 -5.501 -3.131 1.00 0.00 C ATOM 586 CG LEU A 207 5.198 -4.321 -3.101 1.00 0.00 C ATOM 587 CD1 LEU A 207 4.961 -3.400 -4.308 1.00 0.00 C ATOM 588 CD2 LEU A 207 4.991 -3.533 -1.809 1.00 0.00 C ATOM 0 H LEU A 207 2.810 -7.470 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 207 4.389 -5.749 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.196 -5.134 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.338 -6.101 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 207 6.219 -4.701 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.662 -2.566 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.112 -3.962 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 207 3.941 -3.018 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.683 -2.691 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 207 3.967 -3.162 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.175 -4.182 -0.953 1.00 0.00 H new ATOM 600 N GLU A 208 6.065 -8.029 -3.579 1.00 0.00 N ATOM 601 CA GLU A 208 7.424 -8.624 -3.488 1.00 0.00 C ATOM 602 C GLU A 208 7.891 -8.999 -4.895 1.00 0.00 C ATOM 603 O GLU A 208 9.022 -8.769 -5.263 1.00 0.00 O ATOM 604 CB GLU A 208 7.363 -9.883 -2.620 1.00 0.00 C ATOM 605 CG GLU A 208 7.277 -9.504 -1.134 1.00 0.00 C ATOM 606 CD GLU A 208 8.681 -9.191 -0.591 1.00 0.00 C ATOM 607 OE1 GLU A 208 9.352 -8.347 -1.161 1.00 0.00 O ATOM 608 OE2 GLU A 208 9.063 -9.814 0.385 1.00 0.00 O ATOM 0 H GLU A 208 5.338 -8.508 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 208 8.118 -7.910 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.497 -10.484 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.247 -10.497 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 208 6.627 -8.638 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.832 -10.321 -0.567 1.00 0.00 H new ATOM 615 N LEU A 209 7.026 -9.546 -5.698 1.00 0.00 N ATOM 616 CA LEU A 209 7.433 -9.897 -7.088 1.00 0.00 C ATOM 617 C LEU A 209 7.854 -8.608 -7.813 1.00 0.00 C ATOM 618 O LEU A 209 8.832 -8.579 -8.539 1.00 0.00 O ATOM 619 CB LEU A 209 6.237 -10.546 -7.804 1.00 0.00 C ATOM 620 CG LEU A 209 5.890 -11.879 -7.130 1.00 0.00 C ATOM 621 CD1 LEU A 209 4.626 -12.441 -7.785 1.00 0.00 C ATOM 622 CD2 LEU A 209 7.052 -12.878 -7.308 1.00 0.00 C ATOM 0 H LEU A 209 6.060 -9.765 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 209 8.268 -10.597 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.377 -9.878 -7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.476 -10.710 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 209 5.723 -11.721 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 209 4.365 -13.390 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 209 3.805 -11.735 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 209 4.806 -12.598 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.797 -13.822 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.226 -13.048 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 209 7.955 -12.471 -6.853 1.00 0.00 H new ATOM 634 N ALA A 210 7.130 -7.536 -7.591 1.00 0.00 N ATOM 635 CA ALA A 210 7.476 -6.237 -8.234 1.00 0.00 C ATOM 636 C ALA A 210 8.825 -5.757 -7.702 1.00 0.00 C ATOM 637 O ALA A 210 9.655 -5.247 -8.425 1.00 0.00 O ATOM 638 CB ALA A 210 6.406 -5.200 -7.898 1.00 0.00 C ATOM 0 H ALA A 210 6.309 -7.510 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 210 7.530 -6.368 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.660 -4.250 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.439 -5.542 -8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.355 -5.067 -6.817 1.00 0.00 H new ATOM 644 N ALA A 211 9.050 -5.923 -6.437 1.00 0.00 N ATOM 645 CA ALA A 211 10.338 -5.480 -5.849 1.00 0.00 C ATOM 646 C ALA A 211 11.499 -6.184 -6.548 1.00 0.00 C ATOM 647 O ALA A 211 12.523 -5.593 -6.804 1.00 0.00 O ATOM 648 CB ALA A 211 10.344 -5.822 -4.364 1.00 0.00 C ATOM 0 H ALA A 211 8.396 -6.348 -5.780 1.00 0.00 H new ATOM 0 HA ALA A 211 10.452 -4.404 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.287 -5.501 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.518 -5.311 -3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.232 -6.899 -4.238 1.00 0.00 H new ATOM 654 N ARG A 212 11.359 -7.438 -6.852 1.00 0.00 N ATOM 655 CA ARG A 212 12.471 -8.153 -7.529 1.00 0.00 C ATOM 656 C ARG A 212 12.683 -7.557 -8.930 1.00 0.00 C ATOM 657 O ARG A 212 13.802 -7.397 -9.381 1.00 0.00 O ATOM 658 CB ARG A 212 12.108 -9.636 -7.646 1.00 0.00 C ATOM 659 CG ARG A 212 13.244 -10.409 -8.322 1.00 0.00 C ATOM 660 CD ARG A 212 12.865 -11.894 -8.423 1.00 0.00 C ATOM 661 NE ARG A 212 13.993 -12.671 -9.043 1.00 0.00 N ATOM 662 CZ ARG A 212 14.488 -12.357 -10.216 1.00 0.00 C ATOM 663 NH1 ARG A 212 13.887 -11.492 -10.976 1.00 0.00 N ATOM 664 NH2 ARG A 212 15.555 -12.958 -10.657 1.00 0.00 N ATOM 0 H ARG A 212 10.528 -7.998 -6.663 1.00 0.00 H new ATOM 0 HA ARG A 212 13.390 -8.045 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.916 -10.050 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.189 -9.748 -8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.433 -10.003 -9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 212 14.165 -10.296 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 212 12.642 -12.289 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 212 11.962 -12.007 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 212 14.384 -13.465 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 212 13.023 -11.051 -10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 212 14.279 -11.254 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 212 16.008 -13.675 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 212 15.938 -12.712 -11.570 1.00 0.00 H new ATOM 678 N GLU A 213 11.622 -7.234 -9.628 1.00 0.00 N ATOM 679 CA GLU A 213 11.783 -6.657 -11.001 1.00 0.00 C ATOM 680 C GLU A 213 12.393 -5.252 -10.917 1.00 0.00 C ATOM 681 O GLU A 213 13.250 -4.901 -11.701 1.00 0.00 O ATOM 682 CB GLU A 213 10.412 -6.576 -11.703 1.00 0.00 C ATOM 683 CG GLU A 213 10.000 -7.949 -12.249 1.00 0.00 C ATOM 684 CD GLU A 213 9.660 -8.886 -11.092 1.00 0.00 C ATOM 685 OE1 GLU A 213 10.580 -9.423 -10.502 1.00 0.00 O ATOM 686 OE2 GLU A 213 8.481 -9.048 -10.819 1.00 0.00 O ATOM 0 H GLU A 213 10.659 -7.343 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 213 12.447 -7.304 -11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.659 -6.218 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.457 -5.854 -12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 213 9.139 -7.844 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.809 -8.371 -12.845 1.00 0.00 H new ATOM 693 N HIS A 214 11.961 -4.445 -9.977 1.00 0.00 N ATOM 694 CA HIS A 214 12.515 -3.058 -9.850 1.00 0.00 C ATOM 695 C HIS A 214 13.700 -3.047 -8.882 1.00 0.00 C ATOM 696 O HIS A 214 14.511 -2.141 -8.888 1.00 0.00 O ATOM 697 CB HIS A 214 11.429 -2.121 -9.313 1.00 0.00 C ATOM 698 CG HIS A 214 10.381 -1.917 -10.369 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.590 -1.095 -11.463 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.109 -2.412 -10.506 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.465 -1.114 -12.202 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.530 -1.900 -11.663 1.00 0.00 N ATOM 0 H HIS A 214 11.247 -4.687 -9.290 1.00 0.00 H new ATOM 0 HA HIS A 214 12.848 -2.723 -10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.979 -2.545 -8.415 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.866 -1.164 -9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.630 -3.095 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.335 -0.560 -13.120 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.593 -2.085 -12.022 1.00 0.00 H new ATOM 710 N GLY A 215 13.788 -4.037 -8.035 1.00 0.00 N ATOM 711 CA GLY A 215 14.901 -4.090 -7.034 1.00 0.00 C ATOM 712 C GLY A 215 14.590 -3.140 -5.867 1.00 0.00 C ATOM 713 O GLY A 215 15.453 -2.451 -5.364 1.00 0.00 O ATOM 0 H GLY A 215 13.134 -4.818 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.023 -5.108 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.842 -3.807 -7.506 1.00 0.00 H new ATOM 717 N TRP A 216 13.362 -3.096 -5.433 1.00 0.00 N ATOM 718 CA TRP A 216 13.002 -2.190 -4.298 1.00 0.00 C ATOM 719 C TRP A 216 13.314 -2.873 -2.975 1.00 0.00 C ATOM 720 O TRP A 216 13.029 -4.035 -2.785 1.00 0.00 O ATOM 721 CB TRP A 216 11.508 -1.874 -4.321 1.00 0.00 C ATOM 722 CG TRP A 216 11.128 -1.067 -5.525 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.849 -0.055 -6.073 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.911 -1.173 -6.315 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.145 0.459 -7.147 1.00 0.00 N ATOM 726 CE2 TRP A 216 9.950 -0.199 -7.338 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.788 -2.018 -6.243 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.913 -0.061 -8.259 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.738 -1.884 -7.170 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.800 -0.906 -8.178 1.00 0.00 C ATOM 0 H TRP A 216 12.591 -3.646 -5.812 1.00 0.00 H new ATOM 0 HA TRP A 216 13.579 -1.271 -4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.940 -2.804 -4.313 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.238 -1.328 -3.417 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.812 0.291 -5.728 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.471 1.232 -7.727 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.732 -2.773 -5.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.968 0.693 -9.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.879 -2.536 -7.107 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.992 -0.807 -8.887 1.00 0.00 H new ATOM 741 N SER A 217 13.886 -2.148 -2.051 1.00 0.00 N ATOM 742 CA SER A 217 14.210 -2.737 -0.724 1.00 0.00 C ATOM 743 C SER A 217 13.042 -2.502 0.231 1.00 0.00 C ATOM 744 O SER A 217 13.128 -1.678 1.115 1.00 0.00 O ATOM 745 CB SER A 217 15.433 -2.022 -0.160 1.00 0.00 C ATOM 746 OG SER A 217 16.577 -2.362 -0.930 1.00 0.00 O ATOM 0 H SER A 217 14.143 -1.167 -2.162 1.00 0.00 H new ATOM 0 HA SER A 217 14.399 -3.805 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 217 15.277 -0.943 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.585 -2.305 0.881 1.00 0.00 H new ATOM 0 HG SER A 217 17.363 -1.901 -0.569 1.00 0.00 H new ATOM 752 N ILE A 218 11.954 -3.199 0.075 1.00 0.00 N ATOM 753 CA ILE A 218 10.806 -2.956 0.987 1.00 0.00 C ATOM 754 C ILE A 218 11.146 -3.465 2.403 1.00 0.00 C ATOM 755 O ILE A 218 11.884 -4.418 2.554 1.00 0.00 O ATOM 756 CB ILE A 218 9.563 -3.674 0.430 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.651 -5.189 0.690 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.465 -3.430 -1.083 1.00 0.00 C ATOM 759 CD1 ILE A 218 8.508 -5.907 -0.039 1.00 0.00 C ATOM 0 H ILE A 218 11.810 -3.917 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 218 10.599 -1.888 1.051 1.00 0.00 H new ATOM 0 HB ILE A 218 8.680 -3.278 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 218 10.612 -5.571 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.594 -5.388 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.585 -3.938 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.382 -2.360 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.358 -3.818 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 218 8.574 -6.979 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 218 7.552 -5.533 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 218 8.585 -5.720 -1.110 1.00 0.00 H new ATOM 771 N PRO A 219 10.604 -2.841 3.436 1.00 0.00 N ATOM 772 CA PRO A 219 10.852 -3.246 4.851 1.00 0.00 C ATOM 773 C PRO A 219 9.951 -4.414 5.276 1.00 0.00 C ATOM 774 O PRO A 219 9.132 -4.889 4.515 1.00 0.00 O ATOM 775 CB PRO A 219 10.482 -1.985 5.636 1.00 0.00 C ATOM 776 CG PRO A 219 9.362 -1.391 4.847 1.00 0.00 C ATOM 777 CD PRO A 219 9.694 -1.676 3.378 1.00 0.00 C ATOM 0 HA PRO A 219 11.874 -3.589 5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 219 10.172 -2.224 6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 219 11.326 -1.299 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 219 8.407 -1.836 5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 219 9.280 -0.319 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.796 -1.899 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 219 10.172 -0.819 2.903 1.00 0.00 H new ATOM 785 N SER A 220 10.078 -4.868 6.487 1.00 0.00 N ATOM 786 CA SER A 220 9.209 -5.984 6.946 1.00 0.00 C ATOM 787 C SER A 220 7.746 -5.554 6.852 1.00 0.00 C ATOM 788 O SER A 220 7.399 -4.424 7.138 1.00 0.00 O ATOM 789 CB SER A 220 9.541 -6.354 8.388 1.00 0.00 C ATOM 790 OG SER A 220 8.688 -7.419 8.795 1.00 0.00 O ATOM 0 H SER A 220 10.742 -4.518 7.177 1.00 0.00 H new ATOM 0 HA SER A 220 9.380 -6.854 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 220 10.586 -6.654 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.405 -5.491 9.040 1.00 0.00 H new ATOM 0 HG SER A 220 8.893 -7.667 9.721 1.00 0.00 H new ATOM 796 N ARG A 221 6.896 -6.451 6.431 1.00 0.00 N ATOM 797 CA ARG A 221 5.451 -6.134 6.283 1.00 0.00 C ATOM 798 C ARG A 221 4.944 -5.362 7.503 1.00 0.00 C ATOM 799 O ARG A 221 4.038 -4.560 7.395 1.00 0.00 O ATOM 800 CB ARG A 221 4.664 -7.441 6.161 1.00 0.00 C ATOM 801 CG ARG A 221 4.961 -8.126 4.826 1.00 0.00 C ATOM 802 CD ARG A 221 4.153 -9.419 4.745 1.00 0.00 C ATOM 803 NE ARG A 221 4.493 -10.134 3.484 1.00 0.00 N ATOM 804 CZ ARG A 221 4.135 -11.375 3.318 1.00 0.00 C ATOM 805 NH1 ARG A 221 3.480 -11.998 4.260 1.00 0.00 N ATOM 806 NH2 ARG A 221 4.431 -11.989 2.208 1.00 0.00 N ATOM 0 H ARG A 221 7.149 -7.407 6.180 1.00 0.00 H new ATOM 0 HA ARG A 221 5.313 -5.521 5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 221 4.925 -8.107 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.596 -7.238 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 221 4.702 -7.467 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.026 -8.341 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 221 4.371 -10.052 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 221 3.086 -9.197 4.774 1.00 0.00 H new ATOM 0 HE ARG A 221 5.008 -9.650 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 221 3.248 -11.513 5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 221 3.200 -12.970 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 221 4.941 -11.498 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 221 4.153 -12.961 2.073 1.00 0.00 H new ATOM 820 N ALA A 222 5.500 -5.596 8.660 1.00 0.00 N ATOM 821 CA ALA A 222 5.018 -4.868 9.867 1.00 0.00 C ATOM 822 C ALA A 222 5.189 -3.353 9.676 1.00 0.00 C ATOM 823 O ALA A 222 4.317 -2.580 10.018 1.00 0.00 O ATOM 824 CB ALA A 222 5.826 -5.322 11.081 1.00 0.00 C ATOM 0 H ALA A 222 6.262 -6.255 8.821 1.00 0.00 H new ATOM 0 HA ALA A 222 3.961 -5.087 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.478 -4.793 11.968 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.696 -6.395 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.881 -5.103 10.918 1.00 0.00 H new ATOM 830 N THR A 223 6.297 -2.912 9.132 1.00 0.00 N ATOM 831 CA THR A 223 6.489 -1.445 8.938 1.00 0.00 C ATOM 832 C THR A 223 5.477 -0.913 7.919 1.00 0.00 C ATOM 833 O THR A 223 4.917 0.150 8.084 1.00 0.00 O ATOM 834 CB THR A 223 7.905 -1.181 8.414 1.00 0.00 C ATOM 835 OG1 THR A 223 8.859 -1.562 9.399 1.00 0.00 O ATOM 836 CG2 THR A 223 8.063 0.306 8.077 1.00 0.00 C ATOM 0 H THR A 223 7.069 -3.500 8.817 1.00 0.00 H new ATOM 0 HA THR A 223 6.343 -0.940 9.893 1.00 0.00 H new ATOM 0 HB THR A 223 8.072 -1.769 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.763 -1.394 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.071 0.490 7.705 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.338 0.585 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.893 0.902 8.973 1.00 0.00 H new ATOM 844 N ALA A 224 5.247 -1.642 6.866 1.00 0.00 N ATOM 845 CA ALA A 224 4.282 -1.171 5.824 1.00 0.00 C ATOM 846 C ALA A 224 2.877 -1.013 6.422 1.00 0.00 C ATOM 847 O ALA A 224 2.283 0.045 6.365 1.00 0.00 O ATOM 848 CB ALA A 224 4.228 -2.201 4.676 1.00 0.00 C ATOM 0 H ALA A 224 5.683 -2.545 6.677 1.00 0.00 H new ATOM 0 HA ALA A 224 4.618 -0.205 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.526 -1.861 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.219 -2.306 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.901 -3.165 5.067 1.00 0.00 H new ATOM 854 N PHE A 225 2.333 -2.056 6.975 1.00 0.00 N ATOM 855 CA PHE A 225 0.961 -1.974 7.544 1.00 0.00 C ATOM 856 C PHE A 225 0.875 -0.936 8.653 1.00 0.00 C ATOM 857 O PHE A 225 -0.102 -0.227 8.765 1.00 0.00 O ATOM 858 CB PHE A 225 0.543 -3.338 8.081 1.00 0.00 C ATOM 859 CG PHE A 225 -0.847 -3.244 8.660 1.00 0.00 C ATOM 860 CD1 PHE A 225 -1.926 -2.914 7.827 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.066 -3.503 10.021 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.218 -2.842 8.349 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.363 -3.428 10.544 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.439 -3.099 9.705 1.00 0.00 C ATOM 0 H PHE A 225 2.781 -2.968 7.059 1.00 0.00 H new ATOM 0 HA PHE A 225 0.285 -1.668 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.567 -4.079 7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.245 -3.671 8.845 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.756 -2.715 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.237 -3.760 10.664 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.047 -2.588 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.535 -3.623 11.592 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.440 -3.044 10.108 1.00 0.00 H new ATOM 874 N ARG A 226 1.866 -0.847 9.487 1.00 0.00 N ATOM 875 CA ARG A 226 1.798 0.143 10.602 1.00 0.00 C ATOM 876 C ARG A 226 1.653 1.543 10.012 1.00 0.00 C ATOM 877 O ARG A 226 0.922 2.365 10.525 1.00 0.00 O ATOM 878 CB ARG A 226 3.078 0.081 11.435 1.00 0.00 C ATOM 879 CG ARG A 226 2.932 0.980 12.667 1.00 0.00 C ATOM 880 CD ARG A 226 4.213 0.928 13.498 1.00 0.00 C ATOM 881 NE ARG A 226 4.328 -0.407 14.154 1.00 0.00 N ATOM 882 CZ ARG A 226 5.465 -0.785 14.686 1.00 0.00 C ATOM 883 NH1 ARG A 226 6.514 -0.013 14.612 1.00 0.00 N ATOM 884 NH2 ARG A 226 5.560 -1.941 15.285 1.00 0.00 N ATOM 0 H ARG A 226 2.716 -1.410 9.451 1.00 0.00 H new ATOM 0 HA ARG A 226 0.945 -0.088 11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.275 -0.946 11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.930 0.403 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.729 2.005 12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.084 0.654 13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 226 5.079 1.108 12.861 1.00 0.00 H new ATOM 0 HD3 ARG A 226 4.202 1.715 14.252 1.00 0.00 H new ATOM 0 HE ARG A 226 3.519 -1.028 14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 226 6.451 0.888 14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 226 7.397 -0.311 15.027 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.747 -2.555 15.341 1.00 0.00 H new ATOM 0 HH22 ARG A 226 6.447 -2.230 15.697 1.00 0.00 H new ATOM 898 N ARG A 227 2.344 1.828 8.947 1.00 0.00 N ATOM 899 CA ARG A 227 2.237 3.179 8.331 1.00 0.00 C ATOM 900 C ARG A 227 0.832 3.370 7.737 1.00 0.00 C ATOM 901 O ARG A 227 0.294 4.457 7.726 1.00 0.00 O ATOM 902 CB ARG A 227 3.304 3.325 7.250 1.00 0.00 C ATOM 903 CG ARG A 227 3.383 4.784 6.800 1.00 0.00 C ATOM 904 CD ARG A 227 4.589 4.962 5.870 1.00 0.00 C ATOM 905 NE ARG A 227 5.861 4.625 6.596 1.00 0.00 N ATOM 906 CZ ARG A 227 6.234 5.236 7.690 1.00 0.00 C ATOM 907 NH1 ARG A 227 5.591 6.271 8.140 1.00 0.00 N ATOM 908 NH2 ARG A 227 7.302 4.827 8.310 1.00 0.00 N ATOM 0 H ARG A 227 2.979 1.184 8.475 1.00 0.00 H new ATOM 0 HA ARG A 227 2.396 3.945 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 227 4.271 2.999 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.066 2.685 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 227 2.466 5.068 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 227 3.477 5.439 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.480 4.321 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.630 5.990 5.509 1.00 0.00 H new ATOM 0 HE ARG A 227 6.458 3.889 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 227 4.776 6.623 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 227 5.901 6.731 8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 227 7.836 4.040 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 227 7.606 5.294 9.165 1.00 0.00 H new ATOM 922 N ILE A 228 0.237 2.318 7.247 1.00 0.00 N ATOM 923 CA ILE A 228 -1.138 2.427 6.657 1.00 0.00 C ATOM 924 C ILE A 228 -2.103 2.932 7.734 1.00 0.00 C ATOM 925 O ILE A 228 -2.982 3.723 7.470 1.00 0.00 O ATOM 926 CB ILE A 228 -1.623 1.046 6.165 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.699 0.493 5.053 1.00 0.00 C ATOM 928 CG2 ILE A 228 -3.064 1.148 5.646 1.00 0.00 C ATOM 929 CD1 ILE A 228 -1.027 1.109 3.683 1.00 0.00 C ATOM 0 H ILE A 228 0.641 1.382 7.227 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.108 3.118 5.814 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.591 0.356 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.340 0.702 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.803 -0.591 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.397 0.169 5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.716 1.491 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -3.103 1.857 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.357 0.696 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.059 0.878 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.898 2.190 3.730 1.00 0.00 H new ATOM 941 N GLN A 229 -1.947 2.465 8.941 1.00 0.00 N ATOM 942 CA GLN A 229 -2.855 2.887 10.051 1.00 0.00 C ATOM 943 C GLN A 229 -2.762 4.405 10.239 1.00 0.00 C ATOM 944 O GLN A 229 -3.680 5.037 10.730 1.00 0.00 O ATOM 945 CB GLN A 229 -2.414 2.184 11.339 1.00 0.00 C ATOM 946 CG GLN A 229 -3.341 2.558 12.507 1.00 0.00 C ATOM 947 CD GLN A 229 -2.868 1.832 13.776 1.00 0.00 C ATOM 948 OE1 GLN A 229 -3.657 1.524 14.651 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.605 1.527 13.904 1.00 0.00 N ATOM 0 H GLN A 229 -1.221 1.801 9.212 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.884 2.618 9.813 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -2.424 1.104 11.192 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -1.388 2.463 11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -3.331 3.636 12.665 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -4.369 2.279 12.275 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -0.942 1.784 13.173 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -1.282 1.032 14.735 1.00 0.00 H new ATOM 958 N GLN A 230 -1.655 4.993 9.863 1.00 0.00 N ATOM 959 CA GLN A 230 -1.497 6.464 10.029 1.00 0.00 C ATOM 960 C GLN A 230 -2.282 7.197 8.943 1.00 0.00 C ATOM 961 O GLN A 230 -2.509 8.388 9.028 1.00 0.00 O ATOM 962 CB GLN A 230 -0.011 6.844 9.919 1.00 0.00 C ATOM 963 CG GLN A 230 0.734 6.375 11.176 1.00 0.00 C ATOM 964 CD GLN A 230 0.288 7.221 12.371 1.00 0.00 C ATOM 965 OE1 GLN A 230 -0.075 6.692 13.402 1.00 0.00 O ATOM 966 NE2 GLN A 230 0.291 8.526 12.268 1.00 0.00 N ATOM 0 H GLN A 230 -0.855 4.515 9.448 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.877 6.750 11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.427 6.386 9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.091 7.923 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.527 5.321 11.364 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.810 6.468 11.031 1.00 0.00 H new ATOM 0 HE21 GLN A 230 0.596 8.968 11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.012 9.100 13.055 1.00 0.00 H new ATOM 975 N LEU A 231 -2.701 6.511 7.919 1.00 0.00 N ATOM 976 CA LEU A 231 -3.464 7.206 6.849 1.00 0.00 C ATOM 977 C LEU A 231 -4.845 7.620 7.386 1.00 0.00 C ATOM 978 O LEU A 231 -5.418 8.576 6.912 1.00 0.00 O ATOM 979 CB LEU A 231 -3.606 6.293 5.633 1.00 0.00 C ATOM 980 CG LEU A 231 -2.216 5.917 5.089 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.378 5.010 3.866 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.432 7.174 4.684 1.00 0.00 C ATOM 0 H LEU A 231 -2.551 5.512 7.777 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.926 8.103 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.154 5.391 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -4.185 6.794 4.858 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.665 5.397 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.395 4.742 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.914 4.105 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.941 5.536 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.453 6.885 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.980 7.710 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -1.306 7.820 5.553 1.00 0.00 H new ATOM 994 N ASP A 232 -5.340 6.909 8.385 1.00 0.00 N ATOM 995 CA ASP A 232 -6.665 7.213 9.053 1.00 0.00 C ATOM 996 C ASP A 232 -7.763 6.259 8.593 1.00 0.00 C ATOM 997 O ASP A 232 -7.707 5.688 7.525 1.00 0.00 O ATOM 998 CB ASP A 232 -7.138 8.652 8.824 1.00 0.00 C ATOM 999 CG ASP A 232 -6.012 9.626 9.169 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -4.961 9.164 9.585 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -6.221 10.814 9.012 1.00 0.00 O ATOM 0 H ASP A 232 -4.862 6.099 8.780 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.481 7.078 10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -7.441 8.784 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -8.013 8.860 9.440 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.776 6.099 9.404 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.905 5.197 9.046 1.00 0.00 C ATOM 1008 C GLU A 233 -10.547 5.694 7.751 1.00 0.00 C ATOM 1009 O GLU A 233 -11.010 4.924 6.938 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.941 5.212 10.171 1.00 0.00 C ATOM 1011 CG GLU A 233 -12.108 4.284 9.816 1.00 0.00 C ATOM 1012 CD GLU A 233 -13.090 4.209 10.994 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.740 4.671 12.068 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -14.174 3.683 10.800 1.00 0.00 O ATOM 0 H GLU A 233 -8.868 6.561 10.309 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.538 4.180 8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.481 4.891 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.306 6.227 10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -12.620 4.652 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.734 3.288 9.579 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.572 6.978 7.547 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.183 7.513 6.294 1.00 0.00 C ATOM 1023 C ALA A 234 -10.546 6.794 5.100 1.00 0.00 C ATOM 1024 O ALA A 234 -11.194 6.531 4.104 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.907 9.020 6.204 1.00 0.00 C ATOM 0 H ALA A 234 -10.199 7.680 8.187 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.260 7.347 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.351 9.417 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.343 9.522 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.831 9.193 6.189 1.00 0.00 H new ATOM 1031 N MET A 235 -9.293 6.440 5.202 1.00 0.00 N ATOM 1032 CA MET A 235 -8.634 5.704 4.085 1.00 0.00 C ATOM 1033 C MET A 235 -9.397 4.393 3.867 1.00 0.00 C ATOM 1034 O MET A 235 -9.618 3.966 2.751 1.00 0.00 O ATOM 1035 CB MET A 235 -7.181 5.407 4.465 1.00 0.00 C ATOM 1036 CG MET A 235 -6.458 4.664 3.329 1.00 0.00 C ATOM 1037 SD MET A 235 -5.197 3.579 4.041 1.00 0.00 S ATOM 1038 CE MET A 235 -6.311 2.425 4.884 1.00 0.00 C ATOM 0 H MET A 235 -8.698 6.628 6.009 1.00 0.00 H new ATOM 0 HA MET A 235 -8.644 6.298 3.171 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.660 6.339 4.684 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.154 4.805 5.374 1.00 0.00 H new ATOM 0 HG2 MET A 235 -7.172 4.080 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.998 5.378 2.646 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.826 1.453 4.976 1.00 0.00 H new ATOM 0 HE2 MET A 235 -6.548 2.808 5.877 1.00 0.00 H new ATOM 0 HE3 MET A 235 -7.230 2.319 4.307 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.806 3.751 4.926 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.564 2.478 4.762 1.00 0.00 C ATOM 1050 C VAL A 236 -11.849 2.786 3.993 1.00 0.00 C ATOM 1051 O VAL A 236 -12.265 2.050 3.118 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.901 1.895 6.137 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.843 0.702 5.979 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.618 1.419 6.796 1.00 0.00 C ATOM 0 H VAL A 236 -9.651 4.048 5.889 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.967 1.748 4.216 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.382 2.660 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.079 0.292 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.762 1.026 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.361 -0.064 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.846 1.002 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.152 0.654 6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.934 2.260 6.910 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.460 3.895 4.304 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.698 4.310 3.598 1.00 0.00 C ATOM 1066 C VAL A 237 -13.324 4.777 2.192 1.00 0.00 C ATOM 1067 O VAL A 237 -14.104 4.681 1.270 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.360 5.464 4.358 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.594 5.955 3.594 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.791 4.981 5.743 1.00 0.00 C ATOM 0 H VAL A 237 -12.146 4.540 5.030 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.393 3.472 3.543 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.645 6.281 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.058 6.775 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.295 6.302 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.308 5.137 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.262 5.802 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.501 4.161 5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.917 4.636 6.296 1.00 0.00 H new ATOM 1080 N ALA A 238 -12.139 5.310 2.027 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.722 5.817 0.689 1.00 0.00 C ATOM 1082 C ALA A 238 -11.747 4.685 -0.337 1.00 0.00 C ATOM 1083 O ALA A 238 -12.188 4.867 -1.454 1.00 0.00 O ATOM 1084 CB ALA A 238 -10.299 6.368 0.804 1.00 0.00 C ATOM 0 H ALA A 238 -11.443 5.415 2.765 1.00 0.00 H new ATOM 0 HA ALA A 238 -12.409 6.598 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.975 6.744 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -10.281 7.179 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.626 5.574 1.128 1.00 0.00 H new